2-[[(3-hexyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate

Systemtic Name: 2-[[(3-hexyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Openeye Name: 2-[[(3-hexyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate CAS Name: 2-[[(3-hexyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate IUPAC Name: 2-[[(3-hexyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Traditional Name: 2-[[(3-hexyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Formula: C20H25N3O MolecularWeight: 323.432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+]1=C(NC2=CC=CC=C21)NCC3=CC=CC=C3[O-]

Isomeric SMILES

CCCCCC[N+]1=C(NC2=CC=CC=C21)NCC3=CC=CC=C3[O-]

InChI

InChI=1S/C20H25N3O/c1-2-3-4-9-14-23-18-12-7-6-11-17(18)22-20(23)21-15-16-10-5-8-13-19(16)24/h5-8,10-13H,2-4,9,14-15H2,1H3,(H2,21,22,24)